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Molecule Identifiers
Molecular Properties

ID: 103006

SMILES:
C(C(C)=CCc1c(O)cc(CCCCC)cc1OC)CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 103007

SMILES:
COc1c(O)c(C=O)c2c(c1O)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.369

CB1 binding score: -16.29

InChIKey:
VZTPIDRVEORNBM-UHFFFAOYSA-N

ID: 103008

SMILES:
c1c(CCC)cc(O)c2c1OC(CCC=C(C)C)(C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.334

InChIKey:
AAXZFUQLLRMVOG-UHFFFAOYSA-N

ID: 103009

SMILES:
C1(C)(C)Oc2c(c(O)cc(COC)c2)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 222.284

CB1 binding score: -15.659

InChIKey:
NYIDWLNLDYLHCY-UHFFFAOYSA-N

ID: 103010

SMILES:
C1=CC(=O)OC1c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(COC(=O)C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.428

CB1 binding score: -15.174

InChIKey:
GXBGCFMUDMWGJC-UHFFFAOYSA-N

ID: 103011

SMILES:
c1(O)c(CC=C(CCC=C(C)C)CCC=C(C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -16.289

InChIKey:
LDDHNAMMSAZPHV-UHFFFAOYSA-N

ID: 103012

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CCC(=C)C2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.502

InChIKey:
HDNJNVPZXVJOMB-UHFFFAOYSA-N

ID: 103013

SMILES:
C1C(C)=CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -16.967

InChIKey:
WOYOXVOVSDOOHO-UHFFFAOYSA-N

ID: 103014

SMILES:
C(CC)CCc1cc(O)c(C2CC(=O)CC2)c(O)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.349

CB1 binding score: -13.512

InChIKey:
DDUPRVGMIDUEGW-UHFFFAOYSA-N

ID: 103015

SMILES:
C(C)CCCC1=C(O)C(Cc2c(O)c(C)cc(O)c2CC=C(C)C)CC=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -12.995

InChIKey:
PXPFBIPHWZUPSJ-UHFFFAOYSA-N

ID: 103016

SMILES:
CC1(C)C2CCC(C(O)=O)CC2c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -18.745

InChIKey:
VRZWHTKBFZGYJJ-UHFFFAOYSA-N

ID: 103017

SMILES:
C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1C(C(=C)C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.855

InChIKey:
KBTNQOVTNZTJGJ-UHFFFAOYSA-N

ID: 103018

SMILES:
C(C=C(C)C)CC(=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -19.234

InChIKey:
SEEZIOZEUUMJME-UHFFFAOYSA-N

ID: 103019

SMILES:
CC(C(C)C(=O)c1c(O)c2c(cc1C)OC(C)(C)C1C2CC(C)C=C1)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -15.374

InChIKey:
FUOSUHGGZFLPNY-UHFFFAOYSA-N

ID: 103020

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)CC1(C=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -15.397

InChIKey:
AXZTTZCCXVQELG-UHFFFAOYSA-N

ID: 103021

SMILES:
Oc1c(C2C(C(=C)C)CCC(C)=C2)c(O)cc(CCCCCCCCCCCCCCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 482.793

CB1 binding score: -16.93

InChIKey:
JDYHRWNDSKNTNV-UHFFFAOYSA-N

ID: 103022

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 103023

SMILES:
C(c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)CCC(O)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -16.998

InChIKey:
PDVFZZOZSVUPFE-UHFFFAOYSA-N

ID: 103024

SMILES:
CC(=CC1C(=O)C(C)=CCc2c1c(CCCCC)cc(O)c2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -14.256

InChIKey:
YABDRYKGOZKWEE-UHFFFAOYSA-N

ID: 103025

SMILES:
c1(O)cc(CCC)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 103026

SMILES:
C1(C(=C)C)C(c2c(O)c(OC)cc(CCCCC)c2)C(C(C)C)CCC(C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids;Sesquiterpenoids

Class: Cadinane sesquiterpenoids;Cannabinoids

MW: 386.62

CB1 binding score: -15.382

InChIKey:
NFNWESTTXLQUMZ-UHFFFAOYSA-N

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103006–103026 of 773808 items

Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties